Molecule FYI-1003317

A

Molecule Summary:

ID: FYI-1003317
Names:
InChIKey: WDLZYGLWFGJFJL-CQSZACIVSA-N
SMILES: N#Cc3cc(c2ccc(NC(=O)[C@@H]1CCCNC1)nc2)ccc3O

Received at FYIcenter.com on: 2023-06-01

Molecule ID: FYI-1003317 Edit

Molecule Structure InChIKey: WDLZYGLWFGJFJL-CQSZACIVSA-N

Molecule Structure SMILES String: N#Cc3cc(c2ccc(NC(=O)[C@@H]1CCCNC1)nc2)ccc3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003317
FYIcenter.com

 24 26  0  0  1  0  0  0  0  0999 V2000
   10.9120    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  1  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18 13  1  0  0  0  0
 19  9  1  0  0  0  0
 20 19  2  0  0  0  0
 20  6  1  0  0  0  0
 21  5  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23  3  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003317-3D
FYIcenter.com

 42 44  0  0  1  0  0  0  0  0999 V2000
    6.4764   -3.1439   -2.1287 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0523   -2.2596   -1.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5683   -1.1266   -0.7740 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2158    0.1134   -0.9232 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7770    1.2577   -0.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4405    2.5729   -0.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4535    3.5174    0.6481 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9553    4.7985    0.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5135    5.0963   -0.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0098    6.3651   -1.0653 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3303    7.5281   -0.7871 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2022    7.5769   -0.2966 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0507    8.8130   -1.1959 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9449    9.1285   -2.6920 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9360    8.3360   -3.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3475    8.3953   -2.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3736    7.9768   -1.5592 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5059    8.8158   -0.7216 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6499    4.1860   -1.7765 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0674    2.9769   -1.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6572    1.1102    0.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135   -0.1180    0.7752 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4743   -1.2330    0.0843 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8530   -2.4374    0.2469 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0780    0.1694   -1.5863 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0615    3.2811    1.6341 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9346    5.5348    1.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7494    6.3999   -1.7560 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5290    9.6130   -0.6510 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1617   10.1966   -2.8321 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9254    8.9644   -3.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9438    8.7316   -4.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6037    7.2950   -3.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7572    9.4071   -3.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9971    7.7263   -3.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3314    8.0430   -1.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8888    9.8438   -0.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5590    8.4498    0.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1024    2.3310   -2.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2520    1.9684    1.1454 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1563   -0.1785    1.4395 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1509   -2.3553    0.9140 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  2  0  0  0  0
  4  5  2  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  2  0  0  0  0
  7  8  2  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  2  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 13 29  1  1  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-19, 2586👍, 0💬